8FM6

Dri1 hemoprotein variant H21A with a zinc-mirror heme site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	P 65 2 2
Unit cell lengths	74.659, 74.659, 211.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.760 - 2.850
R-factor	0.2216
Rwork	0.219
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.948
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.760	3.050
High resolution limit [Å]	2.850	2.851
Rmerge	0.148	2.395
Rmeas	0.156	2.495
Rpim	0.049	0.691
Number of reflections	8771	106
<I/σ(I)>	10.7	1.2
Completeness [%]	81.6	63.7
Redundancy	10	12.8
CC(1/2)	0.998	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M sodium citrate, 0.1 M potassium phosphate, 34% PEG8000